UCSF

ZINC42913704

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 6.67 -112.23 4 2 2 32 254.393 6
Hi High (pH 8-9.5) 2.85 5 -42.13 3 2 1 31 253.385 6
Mid Mid (pH 6-8) 2.85 6.36 -32.98 3 2 1 30 253.385 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )